[2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine

C10H17N3O2 — CID 116779727

IUPAC[2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine
SMILESCOC1(c2ncc(CN)[nH]2)CCOCC1
InChIInChI=1S/C10H17N3O2/c1-14-10(2-4-15-5-3-10)9-12-7-8(6-11)13-9/h7H,2-6,11H2,1H3,(H,12,13)
InChIKeyGHDBHBUXBAWTSU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.52
Rot. Bonds3

About [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine

[2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine (PubChem CID 116779727) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine
PubChem CID116779727
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine
SMILESCOC1(c2ncc(CN)[nH]2)CCOCC1
InChIInChI=1S/C10H17N3O2/c1-14-10(2-4-15-5-3-10)9-12-7-8(6-11)13-9/h7H,2-6,11H2,1H3,(H,12,13)
InChIKeyGHDBHBUXBAWTSU-UHFFFAOYSA-N
XLogP0.52
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
CID 116779739
2-[2-(4-methyloxan-4-yl)-1H-imidazol-5-yl]ethanamine
CID 115026560
1-[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 104611931
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 104611933
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113432918
2-(4-ethoxyoxan-4-yl)-1H-imidazole-5-carbaldehyde
CID 116782023
2-methoxy-N-[[2-(1-methoxycycloheptyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116779879
2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole
CID 141388655
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136963703
5-iodo-2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964011
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
4-(3-chloropropyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 116744349

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine (CID 116779727) is [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine is COC1(c2ncc(CN)[nH]2)CCOCC1.
What is the InChIKey of [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine?
The InChIKey is GHDBHBUXBAWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-14-10(2-4-15-5-3-10)9-12-7-8(6-11)13-9/h7H,2-6,11H2,1H3,(H,12,13).
What are the key properties of [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine?
[2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 116779727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).